[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C20H26N2O3S2/c1-14-6-8-16(9-7-14)22-18(23)12-25-19(24)17-5-3-2-4-15(17)13-27-20-21-10-11-26-20/h2-5,14,16H,6-13H2,1H3,(H,22,23)